Geometry & MOs

Info

ID:	413092
PubChem CID:	135086036
Reduced:	NOC13H15 (1)
Stoich.:	ABC13D15 (1)
Weight, g/mol:	321.05896
ΔH_f, kcal/mol:	1.49
Dipole, Da:	4.71
IP(EA), eV:	-9.18(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-5-iodo-4,4-dimethyl-1-piperidin-1-ylpent-2-en-1-one

Drug info:

PubChemData

Smile

C1CCC(=CC1)/C=C/C(=O)N2C=CC=C2

DOS

IR

Vibrations